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Ligand · PBW

PBW · (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3, 4,5-pentol

PBW, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3, 4,5-pentol (C7 H14 O6, 194.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
PBW
Formula
C7 H14 O6
Class
ligand
Structures
8
PDB entries
6

Binding sites

PBW in 8 structures; the first of them:

  • 6ZBW · Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6… · PBW A401 · binds TRP73, PHE122, ASP124, ASN125, TRP172, CYS183, TYR243, ASP294
  • 6ZBX · Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in… · PBW A602 · binds TRP73, PHE122, ASP124, ASP125, TRP172, CYS183, TYR243, ASP294
  • 9FYZ · Crystal structure of SusA amylase from Bacteroides thetaiotaomicron covalently bound to… · PBW A701 · binds TYR203, HIS243, PHE294, MET298, ARG329, ASP331, THR332, GLU360 and 3 more
  • 9FZ0 · Crystal structure of SusG from Bacteroides thetaiotaomicron covalently bound to alpha-1,6… · PBW A801 · binds TYR114, HIS154, PHE345, PHE350, ARG386, ASP388, ALA389, GLU431 and 3 more
  • 9FZ2 · Crystal structure of Amylase 5 (Amy5) from Ruminococcus bromii covalently bound to… · PBW A601 · binds TYR118, HIS158, PHE212, MET216, ARG246, ASP248, ALA249, HIS353 and 2 more
  • 9FZ3 · Crystal structure of K38 amylase from Bacillus sp. strain KSM-K38 covalently bound to… · PBW A601 · binds TRP34, TYR77, HIS126, LEU217, LEU218, ARG250, ASP252, ALA253 and 2 more
  • 6ZBW · Structure of the D125N mutant of the catalytic domain of the bacillus circulans alpha-1,6… · PBW A401 · binds TRP73, PHE122, ASP124, ASN125, TRP172, CYS183, ASP294
  • 6ZBX · Structure of the catalytic domain of the bacillus circulans alpha-1,6 mannanase in… · PBW A602 · binds TRP73, PHE122, ASP124, ASP125, TRP172, CYS183, ASP294

Residues it binds most

ASP 18, HIS 10, ARG 10, PHE 16, TRP 9, TYR 14, CYS 8, GLU 7, MET 7, ASN 5 (residue and the binding sites it lines).

Found with

  • GLC · alpha-D-glucopyranose
  • MAN · alpha-D-mannopyranose
  • EDO · 1,2-ethanediol
  • OC9 · Octan-1-ol
  • CA · Calcium ion
  • M96 · (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl) cyclohexane-1,2,3,4-tetrol
  • ACT · Acetate ion
  • IMD · Imidazole
  • A1IHI · 8-azanyloctan-1-ol
  • A1ILG · (1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
  • NA · Sodium ion

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